Effect of oxygen and zinc vacancies in ferromagnetic C-doped ZnO : Density-functional calculations
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Author(s)
Detail(s)
| Original language | English |
|---|---|
| Pages (from-to) | 257-261 |
| Journal / Publication | Journal of Magnetism and Magnetic Materials |
| Volume | 354 |
| Online published | 17 Nov 2013 |
| Publication status | Published - Mar 2014 |
Link(s)
Abstract
The electronic and magnetic properties of pristine and defective ZnO solids, with some O atoms substituted by C, are investigated based on density functional theory. We reveal using the GGA+U and hybrid functional calculations that two neighboring substitutional C impurities prefer to form nonmagnetic C2 dimer. Moreover, our calculations show that both oxygen and zinc vacancies suppress the ferromagnetism in C-doped ZnO and zinc vacancy can even result in antiferromagnetic coupling among C impurities, elucidating the recent experiments. © 2013 Elsevier B.V. All rights reserved.
Research Area(s)
- Density functional theory, Dilute magnetic semiconductor
Citation Format(s)
Effect of oxygen and zinc vacancies in ferromagnetic C-doped ZnO : Density-functional calculations. / Fang, D. Q.; Zhang, R. Q.; Zhang, Y. et al.
In: Journal of Magnetism and Magnetic Materials, Vol. 354, 03.2014, p. 257-261.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
